General Information of the Compound
| Compound ID |
CP0560910
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| Compound Name |
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-ethylsulfonylpyridin-2-yl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one
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| Structure |
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| Formula |
C25H28N8O4S
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| Molecular Weight |
536.618
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3ncc(nc3n(C(C)C)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C25H28N8O4S/c1-5-38(35,36)17-9-8-16(26-11-17)10-27-22-25(34)33(14(2)3)23-21(32-22)28-12-18(31-23)19-20(15-6-7-15)29-13-30-24(19)37-4/h8-9,11-15H,5-7,10H2,1-4H3,(H,27,28,32)
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| InChIKey |
VLSJPMBLQKBHAY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound